Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment
Autor(a) principal: | |
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Data de Publicação: | 2019 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1016/j.commatsci.2019.109160 http://hdl.handle.net/11449/196345 |
Resumo: | Van der Waals (vdW) layered materials have been receiving a great deal of attention, especially after the scotch-tape experiment using graphite and the unique properties of graphene. Sn3O4, which also presents a layered structure, has been widely employed in a variety of technologies, but without further understanding of its bulk properties. For the first time, a modern Scotch-tape nanomanipulation experiment carried on a Dual Beam Microscope is combined with Density Functional Theory to investigate the Sn3O4 bulk properties. Theoretically, we have shown that the interaction energy between Sn3O4 layers are in the same order of graphene layers (21 meV angstrom(-2)), indicating its vdW interaction nature, whereas for SnO is slightly stronger (26 meV angstrom(-2)). Then, the Dual Beam Microscope nanomanipulation of the Sn3O4 nanobelts revealed the weak layer-layer interactions along their stacking direction (plane (010)). Comparatively, when probing SnO and SnO2 nanobelts, no exfoliation could be seen. The study of Sn3O4 electronic structure properties also presents the important role of the interfacial region to the valence and conduction band and, consequently, to the material band-gap. The outcome of this study will help improving some applications, e.g., knowing the total and local density of states can help understanding surface band bending following gases adsorption. To the best of our knowledge, this is the first study to show, combining experimental and theoretical techniques, Sn3O4 as a promising 2D material. |
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Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experimentSemiconductorsSn3O4density functional theoryAb initio simulationsFIBVan der Waals (vdW) layered materials have been receiving a great deal of attention, especially after the scotch-tape experiment using graphite and the unique properties of graphene. Sn3O4, which also presents a layered structure, has been widely employed in a variety of technologies, but without further understanding of its bulk properties. For the first time, a modern Scotch-tape nanomanipulation experiment carried on a Dual Beam Microscope is combined with Density Functional Theory to investigate the Sn3O4 bulk properties. Theoretically, we have shown that the interaction energy between Sn3O4 layers are in the same order of graphene layers (21 meV angstrom(-2)), indicating its vdW interaction nature, whereas for SnO is slightly stronger (26 meV angstrom(-2)). Then, the Dual Beam Microscope nanomanipulation of the Sn3O4 nanobelts revealed the weak layer-layer interactions along their stacking direction (plane (010)). Comparatively, when probing SnO and SnO2 nanobelts, no exfoliation could be seen. The study of Sn3O4 electronic structure properties also presents the important role of the interfacial region to the valence and conduction band and, consequently, to the material band-gap. The outcome of this study will help improving some applications, e.g., knowing the total and local density of states can help understanding surface band bending following gases adsorption. To the best of our knowledge, this is the first study to show, combining experimental and theoretical techniques, Sn3O4 as a promising 2D material.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)ShellANP (Brazil's National Oil, Natural Gas and Biofuels Agency) through the R&D levy regulationConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Beijing Computat Sci Res Ctr, Beijing 100193, Peoples R ChinaSao Paulo State Univ, Inst Chem, Dept Phys Chem, BR-14800060 Araraquara, SP, BrazilUniv Surrey, Adv Technol Inst, Guildford GU2 7XH, Surrey, EnglandUniv Sao Paulo, Sao Carlos Inst Chem, POB 780, BR-13560970 Sao Carlos, SP, BrazilSao Paulo State Univ, Inst Chem, Dept Phys Chem, BR-14800060 Araraquara, SP, BrazilFAPESP: 2017/11631-2FAPESP: 2017/26219-0CNPq: 443138/2016-8CNPq: 303542/2015-2Elsevier B.V.Beijing Computat Sci Res CtrUniversidade Estadual Paulista (Unesp)Univ SurreyUniversidade de São Paulo (USP)Freire, Rafael L. H. [UNESP]Masteghin, Mateus G. [UNESP]Da Silva, Juarez L. F.Orlandi, Marcelo O. [UNESP]2020-12-10T19:41:41Z2020-12-10T19:41:41Z2019-12-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article7http://dx.doi.org/10.1016/j.commatsci.2019.109160Computational Materials Science. Amsterdam: Elsevier, v. 170, 7 p., 2019.0927-0256http://hdl.handle.net/11449/19634510.1016/j.commatsci.2019.109160WOS:000498062100022Web of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengComputational Materials Scienceinfo:eu-repo/semantics/openAccess2021-10-23T07:14:38Zoai:repositorio.unesp.br:11449/196345Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T16:17:40.272299Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment |
title |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment |
spellingShingle |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment Freire, Rafael L. H. [UNESP] Semiconductors Sn3O4 density functional theory Ab initio simulations FIB |
title_short |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment |
title_full |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment |
title_fullStr |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment |
title_full_unstemmed |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment |
title_sort |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment |
author |
Freire, Rafael L. H. [UNESP] |
author_facet |
Freire, Rafael L. H. [UNESP] Masteghin, Mateus G. [UNESP] Da Silva, Juarez L. F. Orlandi, Marcelo O. [UNESP] |
author_role |
author |
author2 |
Masteghin, Mateus G. [UNESP] Da Silva, Juarez L. F. Orlandi, Marcelo O. [UNESP] |
author2_role |
author author author |
dc.contributor.none.fl_str_mv |
Beijing Computat Sci Res Ctr Universidade Estadual Paulista (Unesp) Univ Surrey Universidade de São Paulo (USP) |
dc.contributor.author.fl_str_mv |
Freire, Rafael L. H. [UNESP] Masteghin, Mateus G. [UNESP] Da Silva, Juarez L. F. Orlandi, Marcelo O. [UNESP] |
dc.subject.por.fl_str_mv |
Semiconductors Sn3O4 density functional theory Ab initio simulations FIB |
topic |
Semiconductors Sn3O4 density functional theory Ab initio simulations FIB |
description |
Van der Waals (vdW) layered materials have been receiving a great deal of attention, especially after the scotch-tape experiment using graphite and the unique properties of graphene. Sn3O4, which also presents a layered structure, has been widely employed in a variety of technologies, but without further understanding of its bulk properties. For the first time, a modern Scotch-tape nanomanipulation experiment carried on a Dual Beam Microscope is combined with Density Functional Theory to investigate the Sn3O4 bulk properties. Theoretically, we have shown that the interaction energy between Sn3O4 layers are in the same order of graphene layers (21 meV angstrom(-2)), indicating its vdW interaction nature, whereas for SnO is slightly stronger (26 meV angstrom(-2)). Then, the Dual Beam Microscope nanomanipulation of the Sn3O4 nanobelts revealed the weak layer-layer interactions along their stacking direction (plane (010)). Comparatively, when probing SnO and SnO2 nanobelts, no exfoliation could be seen. The study of Sn3O4 electronic structure properties also presents the important role of the interfacial region to the valence and conduction band and, consequently, to the material band-gap. The outcome of this study will help improving some applications, e.g., knowing the total and local density of states can help understanding surface band bending following gases adsorption. To the best of our knowledge, this is the first study to show, combining experimental and theoretical techniques, Sn3O4 as a promising 2D material. |
publishDate |
2019 |
dc.date.none.fl_str_mv |
2019-12-01 2020-12-10T19:41:41Z 2020-12-10T19:41:41Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1016/j.commatsci.2019.109160 Computational Materials Science. Amsterdam: Elsevier, v. 170, 7 p., 2019. 0927-0256 http://hdl.handle.net/11449/196345 10.1016/j.commatsci.2019.109160 WOS:000498062100022 |
url |
http://dx.doi.org/10.1016/j.commatsci.2019.109160 http://hdl.handle.net/11449/196345 |
identifier_str_mv |
Computational Materials Science. Amsterdam: Elsevier, v. 170, 7 p., 2019. 0927-0256 10.1016/j.commatsci.2019.109160 WOS:000498062100022 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Computational Materials Science |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
7 |
dc.publisher.none.fl_str_mv |
Elsevier B.V. |
publisher.none.fl_str_mv |
Elsevier B.V. |
dc.source.none.fl_str_mv |
Web of Science reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
_version_ |
1808128629670936576 |